formic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C19H26N2O4S2 — CID 154908867

IUPACformic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=CO.O=CO.c1cc2c(s1)CCN(Cc1cc(CN3CCCC3)cs1)C2
InChIInChI=1S/C17H22N2S2.2CH2O2/c1-2-6-18(5-1)10-14-9-16(21-13-14)12-19-7-3-17-15(11-19)4-8-20-17;2*2-1-3/h4,8-9,13H,1-3,5-7,10-12H2;2*1H,(H,2,3)
InChIKeyDIBGAFNIVSETEJ-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.37
Rot. Bonds4

About formic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

formic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 154908867) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is formic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Nameformic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID154908867
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC Nameformic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=CO.O=CO.c1cc2c(s1)CCN(Cc1cc(CN3CCCC3)cs1)C2
InChIInChI=1S/C17H22N2S2.2CH2O2/c1-2-6-18(5-1)10-14-9-16(21-13-14)12-19-7-3-17-15(11-19)4-8-20-17;2*2-1-3/h4,8-9,13H,1-3,5-7,10-12H2;2*1H,(H,2,3)
InChIKeyDIBGAFNIVSETEJ-UHFFFAOYSA-N
XLogP3.37
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

formic acid;1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-4-(1H-1,2,4-triazol-5-ylmethyl)piperazine
CID 154912941
1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine
CID 56901814
2,6-dichloro-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)aniline
CID 82832751
5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041283
5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041286
1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 131905950
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline
CID 112750992
[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-pyridinyl]methanamine
CID 63887644
1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 131896536
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde
CID 62277127
5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041284
5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride
CID 657310

Frequently Asked Questions

What is the IUPAC name of formic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of formic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 154908867) is formic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for formic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for formic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is O=CO.O=CO.c1cc2c(s1)CCN(Cc1cc(CN3CCCC3)cs1)C2.
What is the InChIKey of formic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is DIBGAFNIVSETEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S2.2CH2O2/c1-2-6-18(5-1)10-14-9-16(21-13-14)12-19-7-3-17-15(11-19)4-8-20-17;2*2-1-3/h4,8-9,13H,1-3,5-7,10-12H2;2*1H,(H,2,3).
What are the key properties of formic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
formic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 410.56 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 154908867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).